Geometry & MOs

Info

ID:	186653
PubChem CID:	77462544
Reduced:	ClFN4O4C26H26 (1)
Stoich.:	ABC4D4E26F26 (1)
Weight, g/mol:	384.125213
ΔH_f, kcal/mol:	-139.32
Dipole, Da:	2.04
IP(EA), eV:	-8.9(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[(3-chloro-2-fluorophenoxy)carbonylamino]methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate

Drug info:

PubChemData

Smile

COCC12CC(N(C1C2)C(=O)CC3=CN(C4=CC=CC=C43)C(=O)N)C(=O)NCC5=C(C(=CC=C5)Cl)F

DOS

IR

Vibrations